2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

C12H8ClN3O3S — CID 41340595

IUPAC2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C12H8ClN3O3S/c13-9-4-3-7(20-9)6-10(17)14-12-16-15-11(19-12)8-2-1-5-18-8/h1-5H,6H2,(H,14,16,17)
InChIKeyUOTGCDKQMFYXQR-UHFFFAOYSA-N
MW309.73 g/mol
LogP3.23
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide

2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 41340595) has the molecular formula C12H8ClN3O3S and a molecular weight of 309.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID41340595
Molecular FormulaC12H8ClN3O3S
Molecular Weight309.73 g/mol
Exact Mass309.00
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)s1)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C12H8ClN3O3S/c13-9-4-3-7(20-9)6-10(17)14-12-16-15-11(19-12)8-2-1-5-18-8/h1-5H,6H2,(H,14,16,17)
InChIKeyUOTGCDKQMFYXQR-UHFFFAOYSA-N
XLogP3.23
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 41340595) is 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(Cc1ccc(Cl)s1)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is UOTGCDKQMFYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3S/c13-9-4-3-7(20-9)6-10(17)14-12-16-15-11(19-12)8-2-1-5-18-8/h1-5H,6H2,(H,14,16,17).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 309.73 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 41340595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).